3-acetyl-1H-indazole-5-carbaldehyde

C10H8N2O2 — CID 169168282

IUPAC3-acetyl-1H-indazole-5-carbaldehyde
SMILESCC(=O)c1n[nH]c2ccc(C=O)cc12
InChIInChI=1S/C10H8N2O2/c1-6(14)10-8-4-7(5-13)2-3-9(8)11-12-10/h2-5H,1H3,(H,11,12)
InChIKeyPSMMNZSMPJVPQQ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.58
Rot. Bonds2

About 3-acetyl-1H-indazole-5-carbaldehyde

3-acetyl-1H-indazole-5-carbaldehyde (PubChem CID 169168282) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-acetyl-1H-indazole-5-carbaldehyde.

Molecular Properties

Compound Name3-acetyl-1H-indazole-5-carbaldehyde
PubChem CID169168282
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-acetyl-1H-indazole-5-carbaldehyde
SMILESCC(=O)c1n[nH]c2ccc(C=O)cc12
InChIInChI=1S/C10H8N2O2/c1-6(14)10-8-4-7(5-13)2-3-9(8)11-12-10/h2-5H,1H3,(H,11,12)
InChIKeyPSMMNZSMPJVPQQ-UHFFFAOYSA-N
XLogP1.58
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(3-oxoprop-1-enyl)-1H-indazole-3-carboxylic acid
CID 169459751
1-(1H-indazol-3-yl)ethanone
CID 15684169
3-acetyl-6-fluoro-1H-cinnolin-4-one
CID 39733177
1-[6-(4-aminophenyl)-1H-indazol-3-yl]ethanone
CID 91125991
1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea
CID 166522744
tert-butyl formate;1-(5-phenylmethoxy-1H-indazol-3-yl)ethanone
CID 159625660
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]-1H-indazole-3-carboxylic acid
CID 170491252
6,7-dimethyl-9H-carbazole-3-carbaldehyde
CID 12733102
(3-acetyl-1H-indazol-6-yl)methyl acetate
CID 70075909
N-hydroxy-5-iodo-N-methyl-1H-indazole-3-carboxamide
CID 88533306
5-fluoro-N-methyl-1H-indazole-3-carboxamide
CID 110469324
5-bromo-1H-indazole-3-carboxylate
CID 7157357

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1H-indazole-5-carbaldehyde?
The IUPAC name of 3-acetyl-1H-indazole-5-carbaldehyde (CID 169168282) is 3-acetyl-1H-indazole-5-carbaldehyde.
What is the SMILES notation for 3-acetyl-1H-indazole-5-carbaldehyde?
The canonical SMILES for 3-acetyl-1H-indazole-5-carbaldehyde is CC(=O)c1n[nH]c2ccc(C=O)cc12.
What is the InChIKey of 3-acetyl-1H-indazole-5-carbaldehyde?
The InChIKey is PSMMNZSMPJVPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-6(14)10-8-4-7(5-13)2-3-9(8)11-12-10/h2-5H,1H3,(H,11,12).
What are the key properties of 3-acetyl-1H-indazole-5-carbaldehyde?
3-acetyl-1H-indazole-5-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1H-indazole-5-carbaldehyde is sourced from PubChem (CID 169168282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).